3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide

C17H26N6O3 — CID 171852998

IUPAC3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide
SMILESCNc1nc(NC)c2cc(OC)c(OCCCNC(=O)CCN)cc2n1
InChIInChI=1S/C17H26N6O3/c1-19-16-11-9-13(25-3)14(10-12(11)22-17(20-2)23-16)26-8-4-7-21-15(24)5-6-18/h9-10H,4-8,18H2,1-3H3,(H,21,24)(H2,19,20,22,23)
InChIKeyGHVHQRKFAPMIPZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.96
Rot. Bonds10

About 3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide

3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide (PubChem CID 171852998) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide
PubChem CID171852998
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide
SMILESCNc1nc(NC)c2cc(OC)c(OCCCNC(=O)CCN)cc2n1
InChIInChI=1S/C17H26N6O3/c1-19-16-11-9-13(25-3)14(10-12(11)22-17(20-2)23-16)26-8-4-7-21-15(24)5-6-18/h9-10H,4-8,18H2,1-3H3,(H,21,24)(H2,19,20,22,23)
InChIKeyGHVHQRKFAPMIPZ-UHFFFAOYSA-N
XLogP0.96
TPSA123.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine
CID 171853001
3-[2-(2-aminoethoxy)ethoxy]-N-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]propanamide
CID 163927751
2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine
CID 114693438
N-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide
CID 142136956
3-amino-N-(3-methoxypropyl)propanamide;hydrochloride
CID 56832126
3-[3-(dimethylamino)propoxy]-2-methoxy-N-methylacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345688
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 55908483
3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119295082
S-[2-[5-[4-[2-fluoro-4-(methylamino)phenoxy]-6-methoxyquinolin-7-yl]oxypentylamino]-2-oxoethyl] 2-aminoethanethioate
CID 155184804
N-[7-[4-[1-(3-bromophenyl)ethylamino]-6-methoxy-2-methylquinazolin-7-yl]oxyheptyl]-3,3-diphenylpropanamide
CID 171735456
3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid
CID 171562086
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide?
The IUPAC name of 3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide (CID 171852998) is 3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide?
The canonical SMILES for 3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide is CNc1nc(NC)c2cc(OC)c(OCCCNC(=O)CCN)cc2n1.
What is the InChIKey of 3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide?
The InChIKey is GHVHQRKFAPMIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-19-16-11-9-13(25-3)14(10-12(11)22-17(20-2)23-16)26-8-4-7-21-15(24)5-6-18/h9-10H,4-8,18H2,1-3H3,(H,21,24)(H2,19,20,22,23).
What are the key properties of 3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide?
3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide has a molecular weight of 362.43 g/mol, XLogP of 0.96, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide is sourced from PubChem (CID 171852998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).