2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine

C15H19ClN4O — CID 22692931

IUPAC2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
SMILESClc1nc(NCCCN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C15H19ClN4O/c16-15-18-13-5-2-1-4-12(13)14(19-15)17-6-3-7-20-8-10-21-11-9-20/h1-2,4-5H,3,6-11H2,(H,17,18,19)
InChIKeyILQNNMDNJZIITN-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.42
Rot. Bonds5

About 2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine

2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine (PubChem CID 22692931) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
PubChem CID22692931
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
SMILESClc1nc(NCCCN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C15H19ClN4O/c16-15-18-13-5-2-1-4-12(13)14(19-15)17-6-3-7-20-8-10-21-11-9-20/h1-2,4-5H,3,6-11H2,(H,17,18,19)
InChIKeyILQNNMDNJZIITN-UHFFFAOYSA-N
XLogP2.42
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
2-hydrazinyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 66572559
2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 69241562
4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine
CID 62141191
2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine
CID 164613491
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one
CID 2325577
3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
CID 81035323
2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine
CID 66572656
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
N-(2-morpholin-4-ylethyl)-2-[2-(2-morpholin-4-ylethylamino)phenyl]quinazolin-4-amine
CID 59213424
N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide
CID 6471959

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine (CID 22692931) is 2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine is Clc1nc(NCCCN2CCOCC2)c2ccccc2n1.
What is the InChIKey of 2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The InChIKey is ILQNNMDNJZIITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c16-15-18-13-5-2-1-4-12(13)14(19-15)17-6-3-7-20-8-10-21-11-9-20/h1-2,4-5H,3,6-11H2,(H,17,18,19).
What are the key properties of 2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine has a molecular weight of 306.80 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine is sourced from PubChem (CID 22692931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).