N-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine

C24H25N5O — CID 66749329

IUPACN-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine
SMILESc1ccc(Oc2ccc3c(NCC4CCCCC4)nc(-n4cccn4)nc3c2)cc1
InChIInChI=1S/C24H25N5O/c1-3-8-18(9-4-1)17-25-23-21-13-12-20(30-19-10-5-2-6-11-19)16-22(21)27-24(28-23)29-15-7-14-26-29/h2,5-7,10-16,18H,1,3-4,8-9,17H2,(H,25,27,28)
InChIKeyMSFUKWUDQCHHGR-UHFFFAOYSA-N
MW399.50 g/mol
LogP5.60
Rot. Bonds6

About N-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine

N-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine (PubChem CID 66749329) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine
PubChem CID66749329
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine
SMILESc1ccc(Oc2ccc3c(NCC4CCCCC4)nc(-n4cccn4)nc3c2)cc1
InChIInChI=1S/C24H25N5O/c1-3-8-18(9-4-1)17-25-23-21-13-12-20(30-19-10-5-2-6-11-19)16-22(21)27-24(28-23)29-15-7-14-26-29/h2,5-7,10-16,18H,1,3-4,8-9,17H2,(H,25,27,28)
InChIKeyMSFUKWUDQCHHGR-UHFFFAOYSA-N
XLogP5.60
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.50
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine
CID 66749636
7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 136641811
N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine
CID 118000652
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine
CID 62477691
2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782523
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784120
4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid
CID 63869094
4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62864407
2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine
CID 139645178
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 141277498

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine (CID 66749329) is N-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine is c1ccc(Oc2ccc3c(NCC4CCCCC4)nc(-n4cccn4)nc3c2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine?
The InChIKey is MSFUKWUDQCHHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-3-8-18(9-4-1)17-25-23-21-13-12-20(30-19-10-5-2-6-11-19)16-22(21)27-24(28-23)29-15-7-14-26-29/h2,5-7,10-16,18H,1,3-4,8-9,17H2,(H,25,27,28).
What are the key properties of N-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine?
N-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine has a molecular weight of 399.50 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine is sourced from PubChem (CID 66749329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).