N',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine

C19H29N5O — CID 95798984

IUPACN',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1c2c(nc3cc(C4CCOCC4)nn13)CCCC2
InChIInChI=1S/C19H29N5O/c1-23(2)10-9-20-19-15-5-3-4-6-16(15)21-18-13-17(22-24(18)19)14-7-11-25-12-8-14/h13-14,20H,3-12H2,1-2H3
InChIKeyGQMYKHWBKHLJJW-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.48
Rot. Bonds5

About N',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine (PubChem CID 95798984) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine
PubChem CID95798984
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1c2c(nc3cc(C4CCOCC4)nn13)CCCC2
InChIInChI=1S/C19H29N5O/c1-23(2)10-9-20-19-15-5-3-4-6-16(15)21-18-13-17(22-24(18)19)14-7-11-25-12-8-14/h13-14,20H,3-12H2,1-2H3
InChIKeyGQMYKHWBKHLJJW-UHFFFAOYSA-N
XLogP2.48
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine (CID 95798984) is N',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine is CN(C)CCNc1c2c(nc3cc(C4CCOCC4)nn13)CCCC2.
What is the InChIKey of N',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine?
The InChIKey is GQMYKHWBKHLJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-23(2)10-9-20-19-15-5-3-4-6-16(15)21-18-13-17(22-24(18)19)14-7-11-25-12-8-14/h13-14,20H,3-12H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine has a molecular weight of 343.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine is sourced from PubChem (CID 95798984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).