N,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

C26H31N7 — CID 121406397

IUPACN,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESCc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N(C)C)n4n3)CCCC5)c12
InChIInChI=1S/C26H31N7/c1-17-9-8-12-20-24(17)25(28-16-27-20)32-14-7-6-13-22(32)21-15-23-29-19-11-5-4-10-18(19)26(31(2)3)33(23)30-21/h8-9,12,15-16,22H,4-7,10-11,13-14H2,1-3H3
InChIKeyBVXAKIUDTLQLKG-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.66
Rot. Bonds3

About N,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

N,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (PubChem CID 121406397) has the molecular formula C26H31N7 and a molecular weight of 441.58 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
PubChem CID121406397
Molecular FormulaC26H31N7
Molecular Weight441.58 g/mol
Exact Mass441.26
IUPAC NameN,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESCc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N(C)C)n4n3)CCCC5)c12
InChIInChI=1S/C26H31N7/c1-17-9-8-12-20-24(17)25(28-16-27-20)32-14-7-6-13-22(32)21-15-23-29-19-11-5-4-10-18(19)26(31(2)3)33(23)30-21/h8-9,12,15-16,22H,4-7,10-11,13-14H2,1-3H3
InChIKeyBVXAKIUDTLQLKG-UHFFFAOYSA-N
XLogP4.66
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine
CID 121396218
4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 121396967
4-[2-[1-(6-ethyl-5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
CID 121406410
5-methyl-4-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidin-1-yl]quinazolin-2-amine
CID 121406400
N-[5-methyl-4-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide
CID 121396204
tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane
CID 159376154
N-[4-[2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-5-methylquinazolin-2-yl]methanesulfonamide
CID 121396980
N-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide
CID 99848801
4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol
CID 159548194
tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate
CID 133397040
[1-[[1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 133349483
(3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129482303

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of N,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (CID 121406397) is N,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for N,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for N,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is Cc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N(C)C)n4n3)CCCC5)c12.
What is the InChIKey of N,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The InChIKey is BVXAKIUDTLQLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7/c1-17-9-8-12-20-24(17)25(28-16-27-20)32-14-7-6-13-22(32)21-15-23-29-19-11-5-4-10-18(19)26(31(2)3)33(23)30-21/h8-9,12,15-16,22H,4-7,10-11,13-14H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
N,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine has a molecular weight of 441.58 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 121406397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).