3-(3-aminopropyl)-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one;imidazo[2,1-f][1,2,4]triazin-4-amine

C20H23ClN8O — CID 144977715

IUPAC3-(3-aminopropyl)-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one;imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESNCCCn1c(CC2CC2)nc2cccc(Cl)c2c1=O.Nc1ncnn2ccnc12
InChIInChI=1S/C15H18ClN3O.C5H5N5/c16-11-3-1-4-12-14(11)15(20)19(8-2-7-17)13(18-12)9-10-5-6-10;6-4-5-7-1-2-10(5)9-3-8-4/h1,3-4,10H,2,5-9,17H2;1-3H,(H2,6,8,9)
InChIKeyFVHCOKMCAPPEER-UHFFFAOYSA-N
MW426.91 g/mol
LogP2.06
Rot. Bonds5

About 3-(3-aminopropyl)-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one;imidazo[2,1-f][1,2,4]triazin-4-amine

3-(3-aminopropyl)-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one;imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 144977715) has the molecular formula C20H23ClN8O and a molecular weight of 426.91 g/mol. Its IUPAC name is 3-(3-aminopropyl)-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one;imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name3-(3-aminopropyl)-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one;imidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID144977715
Molecular FormulaC20H23ClN8O
Molecular Weight426.91 g/mol
Exact Mass426.17
IUPAC Name3-(3-aminopropyl)-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one;imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESNCCCn1c(CC2CC2)nc2cccc(Cl)c2c1=O.Nc1ncnn2ccnc12
InChIInChI=1S/C15H18ClN3O.C5H5N5/c16-11-3-1-4-12-14(11)15(20)19(8-2-7-17)13(18-12)9-10-5-6-10;6-4-5-7-1-2-10(5)9-3-8-4/h1,3-4,10H,2,5-9,17H2;1-3H,(H2,6,8,9)
InChIKeyFVHCOKMCAPPEER-UHFFFAOYSA-N
XLogP2.06
TPSA130.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one
CID 144977630
5-[5-chloro-2-(cyclopropylmethyl)-4-oxoquinazolin-3-yl]pentanenitrile
CID 144977672
2-[1-[(6-amino-5-chloropyrimidin-4-yl)amino]ethyl]-3-(3-aminopropyl)-5-chloroquinazolin-4-one
CID 118573832
3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one
CID 117263724
3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide
CID 118573646
3-(azepan-4-yl)-5-chloro-2-[(1S)-1-(imidazo[2,1-f][1,2,4]triazin-4-ylamino)ethyl]quinazolin-4-one
CID 118572185
2,4-diamino-6-[[(1R)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118573963
2,4-diamino-6-[[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile
CID 118573718
[1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid
CID 118578192
4-[2-[amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]butanenitrile;3-[2-[amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]propanenitrile
CID 118576464
5-chloro-2-[(1S)-1-(imidazo[2,1-f][1,2,4]triazin-4-ylamino)ethyl]-3-(1H-pyrrol-2-yl)quinazolin-4-one
CID 118576255
5-chloro-3-cyclopropyl-2-ethylquinazolin-4-one;5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidine-4,6-diamine
CID 144810768

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one;imidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 3-(3-aminopropyl)-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one;imidazo[2,1-f][1,2,4]triazin-4-amine (CID 144977715) is 3-(3-aminopropyl)-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one;imidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 3-(3-aminopropyl)-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one;imidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 3-(3-aminopropyl)-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one;imidazo[2,1-f][1,2,4]triazin-4-amine is NCCCn1c(CC2CC2)nc2cccc(Cl)c2c1=O.Nc1ncnn2ccnc12.
What is the InChIKey of 3-(3-aminopropyl)-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one;imidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is FVHCOKMCAPPEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O.C5H5N5/c16-11-3-1-4-12-14(11)15(20)19(8-2-7-17)13(18-12)9-10-5-6-10;6-4-5-7-1-2-10(5)9-3-8-4/h1,3-4,10H,2,5-9,17H2;1-3H,(H2,6,8,9).
What are the key properties of 3-(3-aminopropyl)-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one;imidazo[2,1-f][1,2,4]triazin-4-amine?
3-(3-aminopropyl)-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one;imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 426.91 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one;imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 144977715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).