7-(cyclohexylmethyl)pyrrolo[2,3-h]quinazoline-2,4-diamine

C17H21N5 — CID 166549459

IUPAC7-(cyclohexylmethyl)pyrrolo[2,3-h]quinazoline-2,4-diamine
SMILESNc1nc(N)c2ccc3c(ccn3CC3CCCCC3)c2n1
InChIInChI=1S/C17H21N5/c18-16-13-6-7-14-12(15(13)20-17(19)21-16)8-9-22(14)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H4,18,19,20,21)
InChIKeySPKHDXATIUAGMU-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.33
Rot. Bonds2

About 7-(cyclohexylmethyl)pyrrolo[2,3-h]quinazoline-2,4-diamine

7-(cyclohexylmethyl)pyrrolo[2,3-h]quinazoline-2,4-diamine (PubChem CID 166549459) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)pyrrolo[2,3-h]quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(cyclohexylmethyl)pyrrolo[2,3-h]quinazoline-2,4-diamine
PubChem CID166549459
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name7-(cyclohexylmethyl)pyrrolo[2,3-h]quinazoline-2,4-diamine
SMILESNc1nc(N)c2ccc3c(ccn3CC3CCCCC3)c2n1
InChIInChI=1S/C17H21N5/c18-16-13-6-7-14-12(15(13)20-17(19)21-16)8-9-22(14)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H4,18,19,20,21)
InChIKeySPKHDXATIUAGMU-UHFFFAOYSA-N
XLogP3.33
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,4-diaminopyrrolo[2,3-h]quinazolin-7-yl)methyl]benzonitrile
CID 166549463
1-(cyclohexylmethyl)indole-4-carboxylic acid
CID 43316618
3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine
CID 115106970
1-(cyclobutylmethyl)indol-6-amine
CID 65457807
6,18-bis(3-cyclohexylpropyl)-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783596
2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine
CID 118636092
2-[1-(cyclopentylmethyl)indol-5-yl]ethanol
CID 115106761
1-(cyclohexylmethyl)indole-5-carbaldehyde
CID 102910537
1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride
CID 158417064
2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol
CID 117118984
1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one
CID 115106908
5-bromo-1-(cyclobutylmethyl)indole
CID 116619741

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)pyrrolo[2,3-h]quinazoline-2,4-diamine?
The IUPAC name of 7-(cyclohexylmethyl)pyrrolo[2,3-h]quinazoline-2,4-diamine (CID 166549459) is 7-(cyclohexylmethyl)pyrrolo[2,3-h]quinazoline-2,4-diamine.
What is the SMILES notation for 7-(cyclohexylmethyl)pyrrolo[2,3-h]quinazoline-2,4-diamine?
The canonical SMILES for 7-(cyclohexylmethyl)pyrrolo[2,3-h]quinazoline-2,4-diamine is Nc1nc(N)c2ccc3c(ccn3CC3CCCCC3)c2n1.
What is the InChIKey of 7-(cyclohexylmethyl)pyrrolo[2,3-h]quinazoline-2,4-diamine?
The InChIKey is SPKHDXATIUAGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c18-16-13-6-7-14-12(15(13)20-17(19)21-16)8-9-22(14)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H4,18,19,20,21).
What are the key properties of 7-(cyclohexylmethyl)pyrrolo[2,3-h]quinazoline-2,4-diamine?
7-(cyclohexylmethyl)pyrrolo[2,3-h]quinazoline-2,4-diamine has a molecular weight of 295.39 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)pyrrolo[2,3-h]quinazoline-2,4-diamine is sourced from PubChem (CID 166549459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).